SCHEMBL119899

SCHEMBL119899

COC(=O)CC(C)CC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
HSD17B10 Q99714 2/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
KCNA5 P22460 3/20 0.34
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12820107 1.00 TSHR (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL9820121 0.86 MGAM (0.37) TSHRHSD17B10MGAMGAASI
SCHEMBL265822 0.81 TSHR (0.50) TSHRHSD17B10MGAMGAASI
SCHEMBL374306 0.81 ALDH1A1 (0.46) TSHRHSD17B10MGAMGAASI
SCHEMBL27799589 0.81 TSHR (0.37) TSHRHSD17B10MGAMGAASI
SCHEMBL28873487 0.81 MMP1 (0.31) MMP1MMP2MMP3MMP9MMP13
SCHEMBL27473691 0.81 MMP1 (0.31) MMP1MMP2MMP3MMP9MMP13
SCHEMBL3186126 0.81 ALDH1A1 (0.46) TSHRHSD17B10MGAMGAASI
SCHEMBL10334455 0.79 TSHR (0.36) TSHRHSD17B10MGAMGAASI
SCHEMBL7949387 0.79 ALDH1A1 (0.35) TSHRHSD17B10ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107635961-B Indole analogs as 5-oxo-ETE receptor antagonists and methods of use thereof 皇家学习促进学会/麦吉尔大学 2021-07-20 CN disclosed
CN-102395578-A Compounds for the treatment of metabolic disorders PROSIDION LTD 2012-03-28 CN disclosed
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 US disclosed
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 US disclosed
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 US disclosed
EP-1995240-B1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-02-22 EP disclosed
EP-2406251-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2012-01-18 EP disclosed
WO-2010103334-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO disclosed
WO-2010103334-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO disclosed
EP-0271287-A2 Quinoline dioic acids and amides MERCK FROSST CANADA INC. (CA) 1988-06-15 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders GPR119, FFAR2, GPBAR1 TSHR 653/4885HSD17B10 146/4885MGAM 1395/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.